Bisulepine
TL;DR: Bisulepine (CAS 42504-84-7) is a chemical compound with molecular formula C17H19NS2 and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine
Also Known As: bisulepine, Bisulepin, Dithiaden, cis-bisulepin, Bisulepin, (Z)-
| Molecular Formula | C17H19NS2 |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 4.7372 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0959 |
| Heavy Atoms | 20 |
| Complexity | 625.4252 |
Chemical Identifiers
| CAS Number | 42504-84-7 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=C(SCC3=CC=CC=C31)SC=C2 |
Product Overview
Bisulepine (CAS 42504-84-7), with molecular formula C17H19NS2 and molecular weight 301.10 g/mol. IUPAC: (3Z)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine.
Chemical Property Profile of Bisulepine
Property Insights of Bisulepine
The XLogP value of 4.7372 indicates that Bisulepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, Bisulepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bisulepine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bisulepine?
The CAS number of Bisulepine is 42504-84-7.
What is the molecular formula of Bisulepine?
The molecular formula of Bisulepine is C17H19NS2.
What is the molecular weight of Bisulepine?
The molecular weight of Bisulepine is 301.10 g/mol.
Where can I buy Bisulepine?
You can request a quote for Bisulepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisulepine?
Yes, KEHONG BIO provides custom synthesis services for Bisulepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.